SCHEMBL10173100

SCHEMBL10173100

Cc1ccc(-c2nn(C)c(-c3nc4cc(C(N)=O)ccc4[nH]3)c2O)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 15/20 0.57
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
F9 P00740 1/20 0.45
F10 P00742 1/20 0.45
F11 P03951 1/20 0.45
CHEK1 O14757 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
MAPK1 P28482 1/20 0.44
MAP2K4 P45985 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
MAPKAPK3 Q16644 1/20 0.44
MAPK6 Q16659 1/20 0.44
MAPKAPK5 Q8IW41 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10139891 0.92 CHEK2 (0.69) CHEK2F9F10F11
SCHEMBL10172723 0.90 CHEK2 (0.46) CHEK2CHEK1
SCHEMBL10172658 0.90 CHEK2 (0.46) CHEK2CHEK1
SCHEMBL7982567 0.89 F10 (0.58) CHEK2F9F10F11
SCHEMBL10172539 0.89 CHEK2 (0.45) CHEK2CHEK1
SCHEMBL16258977 0.86 CHEK2 (0.42) CHEK2CHEK1
SCHEMBL10172724 0.86 CHEK2 (0.44) CHEK2CHEK1
SCHEMBL7969074 0.85 CHEK2 (0.49) CHEK2
SCHEMBL10172540 0.84 CHEK2 (0.45) CHEK2
SCHEMBL10172660 0.84 CHEK2 (0.42) CHEK2MAPKAPK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 CHEK2 4794/4885KDM4E 1387/4885GAA 554/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.